4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-carboxylate
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 4333-4142 |
| Compound Name: | 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl morpholine-4-carboxylate |
| Molecular Weight: | 531.52 |
| Molecular Formula: | C27 H25 N5 O7 |
| Smiles: | CCOc1cc(ccc1OC(N1CCOCC1)=O)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7436 |
| logD: | 2.7436 |
| logSw: | -3.1926 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.39 |
| InChI Key: | VMRJXGRJXYSXIJ-QFIPXVFZSA-N |